UCSF

ZINC01721045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 6 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 0.74 -2.64 1 1 0 20 84.118 0

Vendor Notes

Note Type Comments Provided By
BP 136° Oakwood Chemical
BP 24° Oakwood Chemical
Purity 99% Fluorochem
PUBCHEM_PATENT_ID EP0369409A1; EP0369409B1; EP0970084A1; US5744600; US6001839; WO1998041525A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0564932A1; US5543076 IBM Patent Data
Boiling_Point n.d. Squarix

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )